(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone

C22H24N4O — CID 120814720

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCC1N
InChIInChI=1S/C22H24N4O/c1-22(2)14-26(12-9-20(22)23)21(27)17-13-19(15-7-10-24-11-8-15)25-18-6-4-3-5-16(17)18/h3-8,10-11,13,20H,9,12,14,23H2,1-2H3
InChIKeyXHDKDSIUQILGCP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.50
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 120814720) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID120814720
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCC1N
InChIInChI=1S/C22H24N4O/c1-22(2)14-26(12-9-20(22)23)21(27)17-13-19(15-7-10-24-11-8-15)25-18-6-4-3-5-16(17)18/h3-8,10-11,13,20H,9,12,14,23H2,1-2H3
InChIKeyXHDKDSIUQILGCP-UHFFFAOYSA-N
XLogP3.50
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55810075
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 92606138
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
(3-methylphenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 38462791
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 90652271

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 120814720) is (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is XHDKDSIUQILGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(2)14-26(12-9-20(22)23)21(27)17-13-19(15-7-10-24-11-8-15)25-18-6-4-3-5-16(17)18/h3-8,10-11,13,20H,9,12,14,23H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 120814720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).